ethyl 3-[[4-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate

C26H22N2O5S2 — CID 121043595

IUPACethyl 3-[[4-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H22N2O5S2/c1-2-33-26(30)24-22(17-23(34-24)18-9-5-3-6-10-18)27-25(29)19-13-15-20(16-14-19)28-35(31,32)21-11-7-4-8-12-21/h3-17,28H,2H2,1H3,(H,27,29)
InChIKeyGQDXMXYQTMRKDY-UHFFFAOYSA-N
MW506.61 g/mol
LogP5.64
Rot. Bonds8

About ethyl 3-[[4-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate

ethyl 3-[[4-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate (PubChem CID 121043595) has the molecular formula C26H22N2O5S2 and a molecular weight of 506.61 g/mol. Its IUPAC name is ethyl 3-[[4-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[4-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate
PubChem CID121043595
Molecular FormulaC26H22N2O5S2
Molecular Weight506.61 g/mol
Exact Mass506.10
IUPAC Nameethyl 3-[[4-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H22N2O5S2/c1-2-33-26(30)24-22(17-23(34-24)18-9-5-3-6-10-18)27-25(29)19-13-15-20(16-14-19)28-35(31,32)21-11-7-4-8-12-21/h3-17,28H,2H2,1H3,(H,27,29)
InChIKeyGQDXMXYQTMRKDY-UHFFFAOYSA-N
XLogP5.64
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 121040693
ethyl 3-[(4-ethylsulfanylbenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 41044376
ethyl 3-[(2-methylsulfonylbenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 41154223
methyl 3-[(4-methylsulfonylbenzoyl)amino]-5-phenylthiophene-2-carboxylate
CID 7565786
methyl 3-[[2-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 121040700
ethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate
CID 28573562
methyl 3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-5-phenylthiophene-2-carboxylate
CID 3268360
ethyl 5-phenyl-3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]thiophene-2-carboxylate
CID 16837962
4-(benzenesulfonamido)-N-(2,3-dimethylphenyl)benzamide
CID 1252770
ethyl 3-(phenylsulfamoyl)benzoate
CID 100552593
4-(benzenesulfonamido)-N-[4-[4-[[4-(benzenesulfonamido)benzoyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]benzamide
CID 121043668
4-(benzenesulfonamido)-N-(3,4-diethoxyphenyl)benzamide
CID 43009389

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[4-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate?
The IUPAC name of ethyl 3-[[4-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate (CID 121043595) is ethyl 3-[[4-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-[[4-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate?
The canonical SMILES for ethyl 3-[[4-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate is CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of ethyl 3-[[4-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate?
The InChIKey is GQDXMXYQTMRKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O5S2/c1-2-33-26(30)24-22(17-23(34-24)18-9-5-3-6-10-18)27-25(29)19-13-15-20(16-14-19)28-35(31,32)21-11-7-4-8-12-21/h3-17,28H,2H2,1H3,(H,27,29).
What are the key properties of ethyl 3-[[4-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate?
ethyl 3-[[4-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate has a molecular weight of 506.61 g/mol, XLogP of 5.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[4-(benzenesulfonamido)benzoyl]amino]-5-phenylthiophene-2-carboxylate is sourced from PubChem (CID 121043595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).